N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride

C8H10ClF3N4O2S — CID 119705225

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(C(F)(F)F)s1)C1CNCCO1
InChIInChI=1S/C8H9F3N4O2S.ClH/c9-8(10,11)6-14-15-7(18-6)13-5(16)4-3-12-1-2-17-4;/h4,12H,1-3H2,(H,13,15,16);1H
InChIKeyPDCLECFEBSHBHK-UHFFFAOYSA-N
MW318.71 g/mol
LogP0.91
Rot. Bonds2

About N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119705225) has the molecular formula C8H10ClF3N4O2S and a molecular weight of 318.71 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119705225
Molecular FormulaC8H10ClF3N4O2S
Molecular Weight318.71 g/mol
Exact Mass318.02
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(C(F)(F)F)s1)C1CNCCO1
InChIInChI=1S/C8H9F3N4O2S.ClH/c9-8(10,11)6-14-15-7(18-6)13-5(16)4-3-12-1-2-17-4;/h4,12H,1-3H2,(H,13,15,16);1H
InChIKeyPDCLECFEBSHBHK-UHFFFAOYSA-N
XLogP0.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119705225) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(C(F)(F)F)s1)C1CNCCO1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is PDCLECFEBSHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S.ClH/c9-8(10,11)6-14-15-7(18-6)13-5(16)4-3-12-1-2-17-4;/h4,12H,1-3H2,(H,13,15,16);1H.
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 318.71 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119705225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).